5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one

C10H16BrN3O — CID 136956531

IUPAC5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-3-5-7(4-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQUSBUCKOJDJJNT-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.52
Rot. Bonds5

About 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956531) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136956531
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-3-5-7(4-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQUSBUCKOJDJJNT-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-Bromo-2-cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135483274
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701816
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203
5-bromo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757526
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one (CID 136956531) is 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one is CCCC(CC)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is QUSBUCKOJDJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-5-7(4-2)14-9-8(11)10(15)13-6-12-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 274.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).